SCHEMBL6187361

SCHEMBL6187361

CCCc1ccc(-c2ccccc2C(N)=O)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 1/20 0.44
▸ CHEK1 O14757 1/20 0.43
▸ PPARG P37231 4/20 0.43
▸ ALOX5AP P20292 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ SCN9A Q15858 2/20 0.40
▸ LTB4R2 Q9NPC1 1/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ MAPK8 P45983 2/20 0.39
▸ MAPK10 P53779 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PDK2 Q15119 1/20 0.38
▸ PARP1 P09874 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31583298 0.79 BCAT2 (0.51) BCAT2CHEK1ALOX5APFEN1SCN9A
SCHEMBL6184315 0.78 NR1H2 (0.56) SCN9AKDM4EALDH1A1PARP1
SCHEMBL6187171 0.78 BCAT2 (0.50) BCAT2CHEK1ALOX5APFEN1SCN9A
SCHEMBL27635470 0.78 BCAT2 (0.63) BCAT2CHEK1ALOX5APFEN1SCN9A
SCHEMBL5494348 0.77 MAPK8 (0.51) BCAT2CHEK1MAPK8MAPK10PDK2
SCHEMBL6763655 0.77 BCAT2 (0.43) BCAT2CHEK1ALOX5APFEN1SCN9A
SCHEMBL29832438 0.76 PDE3B (0.51) ALOX5APFEN1SCN9AKDM4EALDH1A1
SCHEMBL6763651 0.76 BCAT2 (0.42) BCAT2CHEK1ALOX5APFEN1SCN9A
SCHEMBL27635469 0.75 BCAT2 (0.62) BCAT2CHEK1PPARGALOX5APFEN1
SCHEMBL28260267 0.73 BCAT2 (0.45) BCAT2CHEK1ALOX5APFEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572686-A1 ANTHRANILIC ACID AMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE Novartis AG (CH) 2005-09-14 — — EP claimed
WO-2004052884-A1 ANTHRANILIC ACID AMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE NOVARTIS AG (CH) 2004-06-24 — — WO claimed
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